2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide

C130H151FN20O11 — CID 159955218

About 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide

2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide (PubChem CID 159955218) has the molecular formula C130H151FN20O11 and a molecular weight of 2188.76 g/mol. Its IUPAC name is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
• PubChem CID: 159955218
• Molecular Formula: C130H151FN20O11
• Molecular Weight: 2188.76 g/mol
• Exact Mass: 2187.19
• IUPAC Name: 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
• SMILES: CCNC1=NCc2cc(CC(=O)C[C@H](C)c3ccccc3)ncc21.CCNC1=NCc2cc(CC(=O)N[C@H](C)c3ccc(F)cc3)ncc21.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCCC1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCOCC1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCOCC1C)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CCCC1)=NC2)c1ccccc1
• InChI: InChI=1S/C24H29N3O3.C23H27N3O3.C23H27N3O2.C21H24N4O.C20H23N3O.C19H21FN4O/c1-17-15-30-9-8-27(17)24-23-14-25-21(10-19(23)13-26-24)12-22(28)11-20(16-29-2)18-6-4-3-5-7-18;1-28-16-19(17-5-3-2-4-6-17)12-21(27)13-20-11-18-14-25-23(22(18)15-24-20)26-7-9-29-10-8-26;1-28-16-19(17-7-3-2-4-8-17)12-21(27)13-20-11-18-14-25-23(22(18)15-24-20)26-9-5-6-10-26;1-15(16-7-3-2-4-8-16)24-20(26)12-18-11-17-13-23-21(19(17)14-22-18)25-9-5-6-10-25;1-3-21-20-19-13-22-17(10-16(19)12-23-20)11-18(24)9-14(2)15-7-5-4-6-8-15;1-3-21-19-17-11-22-16(8-14(17)10-23-19)9-18(25)24-12(2)13-4-6-15(20)7-5-13/h3-7,10,14,17,20H,8-9,11-13,15-16H2,1-2H3;2-6,11,15,19H,7-10,12-14,16H2,1H3;2-4,7-8,11,15,19H,5-6,9-10,12-14,16H2,1H3;2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3,(H,24,26);4-8,10,13-14H,3,9,11-12H2,1-2H3,(H,21,23);4-8,11-12H,3,9-10H2,1-2H3,(H,21,23)(H,24,25)/t17?,20-;2*19-;15-;14-;12-/m111101/s1
• InChIKey: OCQACLDOLSSRAR-CPARBKLXSA-N
• XLogP: 17.59
• TPSA: 361.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.76
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?

The IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide (CID 159955218) is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide.

What is the SMILES notation for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?

The canonical SMILES for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide is CCNC1=NCc2cc(CC(=O)C[C@H](C)c3ccccc3)ncc21.CCNC1=NCc2cc(CC(=O)N[C@H](C)c3ccc(F)cc3)ncc21.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCCC1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCOCC1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCOCC1C)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CCCC1)=NC2)c1ccccc1.

What is the InChIKey of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?

The InChIKey is OCQACLDOLSSRAR-CPARBKLXSA-N. The full InChI is InChI=1S/C24H29N3O3.C23H27N3O3.C23H27N3O2.C21H24N4O.C20H23N3O.C19H21FN4O/c1-17-15-30-9-8-27(17)24-23-14-25-21(10-19(23)13-26-24)12-22(28)11-20(16-29-2)18-6-4-3-5-7-18;1-28-16-19(17-5-3-2-4-6-17)12-21(27)13-20-11-18-14-25-23(22(18)15-24-20)26-7-9-29-10-8-26;1-28-16-19(17-7-3-2-4-8-17)12-21(27)13-20-11-18-14-25-23(22(18)15-24-20)26-9-5-6-10-26;1-15(16-7-3-2-4-8-16)24-20(26)12-18-11-17-13-23-21(19(17)14-22-18)25-9-5-6-10-25;1-3-21-20-19-13-22-17(10-16(19)12-23-20)11-18(24)9-14(2)15-7-5-4-6-8-15;1-3-21-19-17-11-22-16(8-14(17)10-23-19)9-18(25)24-12(2)13-4-6-15(20)7-5-13/h3-7,10,14,17,20H,8-9,11-13,15-16H2,1-2H3;2-6,11,15,19H,7-10,12-14,16H2,1H3;2-4,7-8,11,15,19H,5-6,9-10,12-14,16H2,1H3;2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3,(H,24,26);4-8,10,13-14H,3,9,11-12H2,1-2H3,(H,21,23);4-8,11-12H,3,9-10H2,1-2H3,(H,21,23)(H,24,25)/t17?,20-;2*19-;15-;14-;12-/m111101/s1.

What are the key properties of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?

2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide has a molecular weight of 2188.76 g/mol, XLogP of 17.59, 36 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 159955218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).